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Compound Detail

CHEMBL1204532

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CSCC[C@H](NC(=O)c1ccc(CN[C@H](/C=C/CC(C)C)CC2CCCCC2)cc1-c1ccccc1C)C(=O)O

Basic Information

ChEMBL ID CHEMBL1204532
Phase Preclinical
Structure Type MOL
InChI Key TZLZIAXUFYAPIG-RVDTUPMASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

564.8
MW (Da)
7.63
ALogP
4
HBA
3
HBD
78.4
PSA (Ų)
0.19
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H48N2O3S
MW 564.84
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.01

Data from ChEMBL 36 via Core Engine